6-Methyl-2-heptyl acetate
TL;DR: 6-Methyl-2-heptyl acetate (CAS 67952-57-2) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptan-2-yl acetate
Also Known As: Isooctyl acetate, 1,5-Dimethylhexyl acetate, Fructurol, 6-methylheptan-2-yl acetate, 6-Methyl-2-heptanol
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
| Boiling Point | 187.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 67952-57-2 |
|---|---|
| SMILES | CC(C)CCCC(C)OC(=O)C |
| InChIKey | JNRDWRMJYGDQQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-2-heptyl acetate (CAS 67952-57-2), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 6-methylheptan-2-yl acetate.
Chemical Property Profile of 6-Methyl-2-heptyl acetate
Property Insights of 6-Methyl-2-heptyl acetate
The XLogP value of 3.1 indicates that 6-Methyl-2-heptyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Methyl-2-heptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-heptyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methyl-2-heptyl acetate?
The CAS number of 6-Methyl-2-heptyl acetate is 67952-57-2.
What is the molecular formula of 6-Methyl-2-heptyl acetate?
The molecular formula of 6-Methyl-2-heptyl acetate is C10H20O2.
What is the molecular weight of 6-Methyl-2-heptyl acetate?
The molecular weight of 6-Methyl-2-heptyl acetate is 172.15 g/mol.
Where can I buy 6-Methyl-2-heptyl acetate?
You can request a quote for 6-Methyl-2-heptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-heptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-heptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.